N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline

Base Information

• Chemical Name: N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline
• CAS No.: 5637-51-4
• Molecular Formula: C20H16N4O4
• Molecular Weight: 376.371
• NSC Number: 409497
• DSSTox Substance ID: DTXSID60421333
• Mol file: 5637-51-4.mol

Synonyms:NSC409497;5637-51-4;DTXSID60421333;NSC-409497

Chemical Property of N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline

Chemical Property:

• Vapor Pressure: 3.35E-12mmHg at 25°C
• Boiling Point: 551.3°Cat760mmHg
• Flash Point: 287.2°C
• Density: 1.3g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 376.11715500
• Heavy Atom Count: 28
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3
• Isomeric SMILES: C1=CC=C(C=C1)C/C(=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=CC=C3

Technology Process of N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline

There total 3 articles about N-[(E)-1,2-diphenylethylideneamino]-2,4-dinitroaniline which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

phenyl benzyl ketone (451-40-1) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → α-phenylacetophenone 2,4-dinitrophenylhydrazone (5637-51-4)

Guidance literature:

DOI:10.1021/jo01226a003

Reference yield:

β-iodo-1,1-diphenylethanol (54766-51-7) + (2,4-dinitro-phenyl)-hydrazine (119-26-6) → α-phenylacetophenone 2,4-dinitrophenylhydrazone (5637-51-4)

Guidance literature:

Multistep reaction; (i) HgO, I₂, CCl₄, (ii) /BRN= 615586/;

DOI:10.1039/P19740002346

Reference yield:

→ α-phenylacetophenone 2,4-dinitrophenylhydrazone (5637-51-4)

Guidance literature:

From desoxybenzoin;

upstream raw materials:

phenyl benzyl ketone

(2,4-dinitro-phenyl)-hydrazine

β-iodo-1,1-diphenylethanol

Downstream raw materials:

2-{2-[(2,4-Dinitro-phenyl)-hydrazono]-1,2-diphenyl-ethyl}-malonic acid diethyl ester

phenyl benzyl ketone